Arsanilic acid, N-(1-carbamoylpropyl)-

HCID 46685

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Basic information

CAS: 64046-99-7
Standard SMILES: CCC(Nc1ccc([As](=O)(O)O)cc1)C(N)=O
InChIKey: YRDHRSYLZPYAMZ-UHFFFAOYSA-N
Molecular formula: C10H15AsN2O4
Average molar mass: 302.16 g/mol
Monoisotopic mass: 302.024777

Names & identifiers

Preferred name: Arsanilic acid, N-(1-carbamoylpropyl)-
IUPAC: [4-[(1-amino-1-oxobutan-2-yl)amino]phenyl]arsonic acid
English name: p-[(1-Carbamoylpropyl)amino]phenylarsonic acid
Molecular formula: C10H15AsN2O4
Molecular weight: 302.16

Names & synonyms

64046-99-7ARSANILIC ACID, N-(1-CARBAMOYLPROPYL)-RefChem:1077200DTXSID509822012-(4-Arsonoanilino)butanimidic acidp-[(1-Carbamoylpropyl)amino]phenylarsonic acidArsonic acid, [4-[[1-(aminocarbonyl)propyl]amino]phenyl]- (9CI)

Database identifiers

CAS: 64046-99-7
PubChem CID: 46685
DTXSID: DTXSID50982201
Nikkaji: J62.282F

Properties

Computed structural properties

Topological polar surface area: 113 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 309

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